#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hwg s SER 5 N 0.00 -0.88 -0.08 1.09 0.01 -1.26 -5.16 113.70 107.42 3hwg s SER 5 Ca 0.00 1.41 0.04 0.00 1.31 0.00 0.00 55.95 58.71 3hwg s SER 5 Cb 0.00 1.38 0.00 0.00 0.21 0.00 0.00 66.02 67.61 3hwg s SER 5 CO 0.00 -0.22 -0.21 -1.81 0.41 0.00 0.00 173.24 171.41 3hwg s ASP 6 N 1.62 2.72 0.00 2.44 -0.00 -1.26 -5.14 116.67 117.05 3hwg s ASP 6 Ca -0.10 -0.48 0.03 0.00 -0.00 0.00 0.00 52.55 52.00 3hwg s ASP 6 Cb -0.05 -1.15 -0.01 0.00 -0.00 0.00 0.00 42.92 41.71 3hwg s ASP 6 CO -0.19 0.14 -0.10 -0.76 -0.00 0.00 0.00 175.17 174.26 3hwg s LEU 7 N 0.34 2.06 0.20 1.23 1.43 -1.26 -5.05 118.68 117.62 3hwg s LEU 7 Ca -0.15 -0.24 -0.31 0.00 -1.03 0.00 0.00 54.13 52.40 3hwg s LEU 7 Cb -0.17 -0.47 -0.10 0.00 0.03 0.00 0.00 46.19 45.49 3hwg s LEU 7 CO 0.07 0.08 1.49 -0.63 0.23 0.00 0.00 176.35 177.58 3hwg s ILE 8 N -0.40 2.71 0.48 -0.59 1.01 -1.26 -4.95 121.20 118.20 3hwg s ILE 8 Ca 0.02 0.55 -0.23 0.00 0.00 0.00 0.00 60.65 60.99 3hwg s ILE 8 Cb -0.05 -3.35 -0.07 0.00 0.01 0.00 0.00 42.46 39.01 3hwg s ILE 8 CO -0.00 0.06 1.28 -2.84 0.00 0.00 0.00 174.94 173.44 3hwg s PRO 9 N 0.44 3.54 0.37 2.79 0.02 -1.26 -4.84 135.00 136.05 3hwg s PRO 9 Ca 0.64 2.06 -0.28 0.00 0.02 0.00 0.00 61.00 63.44 3hwg s PRO 9 Cb -0.42 -2.42 -0.11 0.00 0.02 0.00 0.00 34.50 31.57 3hwg s PRO 9 CO 0.37 -0.81 1.43 0.00 -0.33 0.00 0.00 177.00 177.66 3hwg s ALA 10 N -1.38 3.54 0.73 -1.55 0.00 -1.26 -4.96 121.76 116.89 3hwg s ALA 10 Ca 0.66 1.48 -0.11 0.00 0.00 0.00 0.00 51.96 53.99 3hwg s ALA 10 Cb -0.36 -3.57 0.03 0.00 0.00 0.00 0.00 23.12 19.22 3hwg s ALA 10 CO 0.43 -0.95 1.08 -1.25 0.00 0.00 0.00 175.76 175.08 3hwg s PRO 11 N -2.03 2.55 0.41 0.00 0.04 -1.26 -5.00 135.00 129.72 3hwg s PRO 11 Ca 0.52 1.12 -0.25 0.00 0.04 0.00 0.00 61.00 62.42 3hwg s PRO 11 Cb -0.45 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.08 3hwg s PRO 11 CO 0.60 -1.41 1.24 -1.25 0.04 0.00 0.00 177.00 176.22 3hwg s PRO 12 N -4.86 3.97 0.63 0.56 0.04 -1.26 -4.90 135.00 129.17 3hwg s PRO 12 Ca 0.61 2.01 0.34 0.00 0.04 0.00 0.00 61.00 64.00 3hwg s PRO 12 Cb -0.16 -2.70 1.91 0.00 0.04 0.00 0.00 34.50 33.59 3hwg s PRO 12 CO 0.54 -0.45 2.17 -0.07 0.04 0.00 0.00 177.00 179.24 3hwg h LEU 13 N 2.60 0.00 -2.23 -3.56 4.07 -1.94 0.35 115.31 114.60 3hwg h LEU 13 Ca -0.49 0.00 0.01 0.00 0.08 0.00 0.00 57.88 57.47 3hwg h LEU 13 Cb 1.24 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.98 3hwg h LEU 13 CO 0.62 0.00 0.02 0.77 -1.08 0.00 0.00 178.44 178.77 3hwg h SER 14 N 0.00 0.00 0.21 -0.43 4.64 -2.03 -1.60 113.55 114.34 3hwg h SER 14 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3hwg h SER 14 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3hwg h SER 14 CO -0.00 0.00 -0.07 0.29 -0.87 0.00 0.00 176.83 176.18 3hwg n LYS 15 N -4.19 0.95 -3.74 4.77 5.02 0.11 -4.72 118.16 116.37 3hwg n LYS 15 Ca -0.03 -0.33 -0.37 0.00 -2.02 0.00 0.00 58.31 55.56 3hwg n LYS 15 Cb 0.11 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.51 3hwg n LYS 15 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hwg s VAL 16 N -2.28 3.55 0.82 -0.18 1.01 -0.60 -4.97 120.40 117.76 3hwg s VAL 16 Ca 0.35 -1.71 -0.11 0.00 0.00 0.00 0.00 61.98 60.50 3hwg s VAL 16 Cb 0.21 -3.27 0.09 0.00 0.00 0.00 0.00 36.38 33.40 3hwg s VAL 16 CO 0.43 -0.52 1.13 -2.84 0.00 0.00 0.00 175.10 173.29 3hwg s PRO 17 N 1.26 1.73 -0.08 2.72 0.02 -1.26 -4.98 135.00 134.40 3hwg s PRO 17 Ca 0.04 1.43 0.02 0.00 0.02 0.00 0.00 61.00 62.51 3hwg s PRO 17 Cb -0.22 -1.82 -0.02 0.00 0.02 0.00 0.00 34.50 32.46 3hwg s PRO 17 CO -0.02 -2.08 -0.14 -1.17 -0.33 0.00 0.00 177.00 173.27 3hwg s LEU 18 N -6.06 2.73 -0.05 -5.54 2.96 -1.26 -4.12 118.68 107.34 3hwg s LEU 18 Ca 0.66 -0.24 -0.30 0.00 -0.22 0.00 0.00 54.13 54.03 3hwg s LEU 18 Cb -0.21 -1.58 -0.06 0.00 0.50 0.00 0.00 46.19 44.84 3hwg s LEU 18 CO 0.54 0.28 1.80 -1.58 -1.32 0.00 0.00 176.35 176.07 3hwg s GLN 19 N -0.32 4.07 0.44 1.98 2.00 0.09 -4.92 119.66 123.01 3hwg s GLN 19 Ca 0.03 2.28 -0.24 0.00 -2.00 0.00 0.00 55.36 55.43 3hwg s GLN 19 Cb -0.13 -4.08 -0.08 0.00 0.80 0.00 0.00 33.01 29.53 3hwg s GLN 19 CO 0.02 -1.00 1.18 1.14 -0.50 0.00 0.00 175.29 176.13 3hwg s GLN 20 N 4.39 3.82 -1.05 1.67 0.00 -1.26 -3.74 119.66 123.49 3hwg s GLN 20 Ca 0.80 1.81 -0.19 0.00 -0.00 0.00 0.00 55.36 57.78 3hwg s GLN 20 Cb -0.36 -2.48 0.02 0.00 0.00 0.00 0.00 33.01 30.19 3hwg s GLN 20 CO 0.34 -0.51 0.69 -1.71 0.00 0.00 0.00 175.29 174.10 3hwg n ASN 21 N -0.34 -4.89 -4.70 12.60 4.05 -1.26 -4.87 115.26 115.86 3hwg n ASN 21 Ca 0.06 -1.06 -0.42 0.00 0.45 0.00 0.00 54.58 53.62 3hwg n ASN 21 Cb 0.47 -2.32 -0.03 0.00 1.23 0.00 0.00 39.78 39.14 3hwg n ASN 21 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 177.26 174.33 3hwg s PHE 22 N -3.32 2.78 -0.47 1.20 2.19 -1.25 -4.98 117.98 114.13 3hwg s PHE 22 Ca 0.31 0.64 -0.13 0.00 0.33 0.00 0.00 56.93 58.08 3hwg s PHE 22 Cb -0.15 -3.80 0.09 0.00 -1.31 0.00 0.00 43.02 37.85 3hwg s PHE 22 CO 0.91 -3.04 0.38 -0.65 1.83 0.00 0.00 175.22 174.64 3hwg s GLN 23 N 2.15 2.82 0.36 10.12 -1.52 -1.26 -4.81 119.66 127.51 3hwg s GLN 23 Ca 0.68 -1.51 0.08 0.00 -1.95 0.00 0.00 55.36 52.65 3hwg s GLN 23 Cb -0.36 -4.05 0.67 0.00 -0.22 0.00 0.00 33.01 29.05 3hwg s GLN 23 CO 0.30 -1.10 1.86 0.38 -0.25 0.00 0.00 175.29 176.48 3hwg h ASP 24 N 8.65 0.30 -0.08 5.90 2.03 -2.00 -2.63 116.42 128.60 3hwg h ASP 24 Ca -0.26 -0.07 -0.13 0.00 -0.73 0.00 0.00 57.03 55.84 3hwg h ASP 24 Cb 1.10 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 39.51 3hwg h ASP 24 CO 0.88 0.48 -0.37 -0.55 -1.03 0.00 0.00 179.24 178.65 3hwg h ASN 25 N 0.29 0.62 1.63 4.15 -1.07 -2.00 -3.17 115.58 116.03 3hwg h ASN 25 Ca 0.06 -0.27 0.00 0.00 0.07 0.00 0.00 56.30 56.16 3hwg h ASN 25 Cb 0.45 -0.17 0.00 0.00 -2.07 0.00 0.00 38.32 36.53 3hwg h ASN 25 CO 0.03 0.93 0.00 1.56 0.07 0.00 0.00 177.43 180.02 3hwg h GLN 26 N 0.49 0.00 -0.00 4.14 4.20 -1.90 -3.14 115.11 118.90 3hwg h GLN 26 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3hwg h GLN 26 Cb 0.87 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.65 3hwg h GLN 26 CO 0.08 0.00 -0.17 0.34 -0.67 0.00 0.00 178.83 178.40 3hwg n PHE 27 N -2.90 0.00 -0.62 2.96 -0.00 -1.05 -4.80 117.46 111.06 3hwg n PHE 27 Ca 0.03 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.19 3hwg n PHE 27 Cb 0.45 -0.36 0.22 0.00 -0.00 0.00 0.00 39.48 39.79 3hwg n PHE 27 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 3hwg s GLN 28 N -2.89 -0.17 0.13 -4.13 -0.21 -1.19 -4.78 119.66 106.43 3hwg s GLN 28 Ca 0.16 1.09 0.00 0.00 0.02 0.00 0.00 55.36 56.63 3hwg s GLN 28 Cb 0.19 -1.62 0.00 0.00 1.00 0.00 0.00 33.01 32.58 3hwg s GLN 28 CO 0.57 -3.30 0.00 0.41 -2.12 0.00 0.00 175.29 170.85 3hwg n GLY 29 N 0.51 -1.76 3.75 3.09 0.00 0.11 -4.86 105.19 106.03 3hwg n GLY 29 Ca 0.06 -1.98 -0.39 0.00 0.00 0.00 0.00 46.02 43.71 3hwg n GLY 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hwg s LYS 30 N 0.00 4.40 -0.03 1.61 2.20 -1.26 -1.03 119.74 125.63 3hwg s LYS 30 Ca 0.00 0.87 0.06 0.00 -0.36 0.00 0.00 55.97 56.54 3hwg s LYS 30 Cb 0.00 -3.37 -0.01 0.00 -1.51 0.00 0.00 37.83 32.94 3hwg s LYS 30 CO 0.00 0.28 -0.22 -1.58 -0.36 0.00 0.00 175.35 173.46 3hwg s TRP 31 N 0.06 2.08 -0.02 4.03 0.52 -0.33 -4.78 118.94 120.50 3hwg s TRP 31 Ca 0.35 -0.49 -0.17 0.00 0.02 0.00 0.00 56.10 55.81 3hwg s TRP 31 Cb -0.19 -1.35 -0.05 0.00 -1.15 0.00 0.00 33.47 30.72 3hwg s TRP 31 CO 0.19 -0.10 0.47 0.71 0.02 0.00 0.00 176.95 178.24 3hwg s TYR 32 N -0.34 3.69 -0.81 -1.98 2.02 0.19 -0.61 117.35 119.51 3hwg s TYR 32 Ca 0.04 1.03 -0.23 0.00 -0.37 0.00 0.00 57.07 57.54 3hwg s TYR 32 Cb -0.10 -2.42 0.07 0.00 -0.40 0.00 0.00 41.96 39.11 3hwg s TYR 32 CO 0.01 0.49 1.16 0.08 -1.57 0.00 0.00 175.55 175.72 3hwg s VAL 33 N -0.59 4.21 -0.18 0.71 1.01 -0.41 0.13 120.40 125.29 3hwg s VAL 33 Ca 0.26 -0.54 0.22 0.00 0.00 0.00 0.00 61.98 61.91 3hwg s VAL 33 Cb -0.17 -4.83 -0.09 0.00 0.00 0.00 0.00 36.38 31.29 3hwg s VAL 33 CO 0.14 -1.65 0.89 0.55 0.00 0.00 0.00 175.10 175.03 3hwg n VAL 34 N 6.11 0.55 -4.09 2.92 3.14 -0.50 -4.40 118.33 122.06 3hwg n VAL 34 Ca 0.11 -0.56 -0.15 0.00 -2.96 0.00 0.00 64.34 60.78 3hwg n VAL 34 Cb 0.48 -0.30 -0.14 0.00 -1.06 0.00 0.00 33.84 32.82 3hwg n VAL 34 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 3hwg s GLY 35 N -4.45 0.21 -0.03 7.55 0.00 -0.99 -3.73 107.32 105.88 3hwg s GLY 35 Ca -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 44.72 44.47 3hwg s GLY 35 CO 0.82 -0.19 0.04 -2.27 0.00 0.00 0.00 173.10 171.50 3hwg s LEU 36 N -0.20 0.58 0.02 0.66 0.20 0.84 -0.27 118.68 120.51 3hwg s LEU 36 Ca 0.01 0.05 0.00 0.00 0.69 0.00 0.00 54.13 54.88 3hwg s LEU 36 Cb -0.02 -0.13 -0.02 0.00 -0.43 0.00 0.00 46.19 45.59 3hwg s LEU 36 CO -0.00 -0.19 -0.03 0.00 -0.29 0.00 0.00 176.35 175.83 3hwg s ALA 37 N 1.67 0.17 0.00 5.97 0.00 0.06 0.30 121.76 129.93 3hwg s ALA 37 Ca -0.01 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.42 3hwg s ALA 37 Cb -0.12 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.10 3hwg s ALA 37 CO -0.03 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.03 3hwg n GLY 38 N 1.82 0.98 0.16 0.00 0.00 -0.98 0.69 105.19 107.87 3hwg n GLY 38 Ca -0.22 -0.87 0.13 0.00 0.00 0.00 0.00 46.02 45.06 3hwg n GLY 38 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 3hwg h ASN 39 N 0.00 0.00 -0.19 1.61 -1.07 -1.75 -2.64 115.58 111.54 3hwg h ASN 39 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3hwg h ASN 39 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 3hwg h ASN 39 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.43 177.50 3hwg n ALA 40 N -1.90 2.39 -2.67 4.14 0.00 -1.26 -4.60 120.51 116.61 3hwg n ALA 40 Ca 0.03 -0.83 -0.39 0.00 0.00 0.00 0.00 53.44 52.25 3hwg n ALA 40 Cb 0.37 -0.56 -0.07 0.00 0.00 0.00 0.00 19.45 19.19 3hwg n ALA 40 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hwg s ILE 41 N -1.20 5.13 -0.02 0.00 -1.09 -1.00 -5.07 121.20 117.95 3hwg s ILE 41 Ca 0.23 0.93 0.06 0.00 -2.23 0.00 0.00 60.65 59.64 3hwg s ILE 41 Cb 0.15 -3.83 -0.01 0.00 -1.58 0.00 0.00 42.46 37.18 3hwg s ILE 41 CO 0.21 0.21 -0.20 -0.76 -1.23 0.00 0.00 174.94 173.17 3hwg s LEU 42 N 1.46 2.01 0.25 2.97 2.01 -1.26 -4.30 118.68 121.81 3hwg s LEU 42 Ca 0.24 -0.37 -0.30 0.00 0.01 0.00 0.00 54.13 53.72 3hwg s LEU 42 Cb -0.15 -1.03 -0.09 0.00 0.01 0.00 0.00 46.19 44.92 3hwg s LEU 42 CO 0.10 0.22 1.24 -0.60 1.01 0.00 0.00 176.35 178.31 3hwg s ARG 43 N -0.33 4.46 -0.08 1.70 3.52 0.13 -5.00 118.95 123.35 3hwg s ARG 43 Ca 0.04 2.00 -0.04 0.00 -0.13 0.00 0.00 55.73 57.61 3hwg s ARG 43 Cb -0.09 -3.17 0.04 0.00 -1.56 0.00 0.00 34.95 30.17 3hwg s ARG 43 CO 0.00 -0.09 0.18 -1.83 -0.81 0.00 0.00 175.30 172.75 3hwg s GLU 44 N -0.92 0.13 -0.01 5.12 1.03 -1.26 -5.04 118.70 117.75 3hwg s GLU 44 Ca 0.51 0.41 0.09 0.00 0.03 0.00 0.00 54.97 56.01 3hwg s GLU 44 Cb -0.36 -0.15 -0.13 0.00 -0.80 0.00 0.00 34.13 32.70 3hwg s GLU 44 CO 0.43 -0.16 0.26 -0.40 -1.33 0.00 0.00 175.26 174.05 3hwg n ASP 45 N 4.17 2.08 0.08 0.83 5.75 -1.26 -2.64 116.55 125.55 3hwg n ASP 45 Ca -0.26 -0.24 -0.11 0.00 -0.01 0.00 0.00 54.79 54.18 3hwg n ASP 45 Cb 0.52 1.27 -0.02 0.00 -1.03 0.00 0.00 41.12 41.87 3hwg n ASP 45 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 3hwg h LYS 46 N 0.00 0.30 -2.41 0.11 1.57 -2.05 -3.40 116.57 110.69 3hwg h LYS 46 Ca 0.00 -0.32 -0.59 0.00 -1.87 0.00 0.00 60.65 57.87 3hwg h LYS 46 Cb 0.34 0.09 -0.38 0.00 0.08 0.00 0.00 32.23 32.36 3hwg h LYS 46 CO 0.00 1.02 -0.95 -0.51 -0.57 0.00 0.00 179.45 178.44 3hwg s ASP 47 N -7.00 1.66 0.41 0.86 1.01 -1.26 -5.13 116.67 107.21 3hwg s ASP 47 Ca -0.04 -3.07 -0.26 0.00 0.71 0.00 0.00 52.55 49.89 3hwg s ASP 47 Cb 0.10 -0.49 -0.10 0.00 1.01 0.00 0.00 42.92 43.43 3hwg s ASP 47 CO 0.85 -0.17 1.33 -2.65 0.21 0.00 0.00 175.17 174.73 3hwg n PRO 48 N 2.86 2.11 -1.70 8.23 -0.02 -1.08 -4.74 135.00 140.66 3hwg n PRO 48 Ca 0.28 0.75 -0.43 0.00 -2.02 0.00 0.00 63.50 62.08 3hwg n PRO 48 Cb 0.47 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.46 3hwg n PRO 48 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3hwg n GLN 49 N 0.14 2.66 -3.09 -0.52 -0.06 -1.26 -4.91 117.38 110.34 3hwg n GLN 49 Ca 0.05 0.96 -0.38 0.00 -2.00 0.00 0.00 57.00 55.64 3hwg n GLN 49 Cb 0.39 -2.81 -0.06 0.00 -4.06 0.00 0.00 30.24 23.71 3hwg n GLN 49 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 3hwg s LYS 50 N 1.50 4.35 0.36 3.69 1.02 -1.26 -1.43 119.74 127.97 3hwg s LYS 50 Ca 0.77 0.94 -0.28 0.00 0.02 0.00 0.00 55.97 57.43 3hwg s LYS 50 Cb -0.53 -3.07 -0.11 0.00 -0.52 0.00 0.00 37.83 33.59 3hwg s LYS 50 CO 0.35 0.50 1.45 -0.12 -0.92 0.00 0.00 175.35 176.60 3hwg n MET 51 N 1.18 2.54 -4.48 1.68 0.00 -0.02 -4.71 117.12 113.31 3hwg n MET 51 Ca -0.05 0.89 -0.23 0.00 -0.00 0.00 0.00 57.70 58.31 3hwg n MET 51 Cb 0.50 -2.59 -0.10 0.00 0.00 0.00 0.00 33.22 31.03 3hwg n MET 51 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 175.97 177.49 3hwg s TYR 52 N -1.03 1.92 0.10 1.12 1.13 -1.26 -4.70 117.35 114.62 3hwg s TYR 52 Ca 0.54 -1.03 0.08 0.00 -1.41 0.00 0.00 57.07 55.26 3hwg s TYR 52 Cb -0.50 -1.27 -0.03 0.00 -1.10 0.00 0.00 41.96 39.05 3hwg s TYR 52 CO 0.62 -0.05 -0.22 0.00 -2.51 0.00 0.00 175.55 173.40 3hwg s ALA 53 N -3.25 1.88 -0.10 9.51 0.00 -1.05 -1.28 121.76 127.46 3hwg s ALA 53 Ca 0.32 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 51.03 3hwg s ALA 53 Cb 0.07 -0.28 0.02 0.00 0.00 0.00 0.00 23.12 22.94 3hwg s ALA 53 CO 0.15 0.39 -0.09 0.99 0.00 0.00 0.00 175.76 177.20 3hwg s THR 54 N -1.11 1.04 -0.21 0.00 2.01 0.22 -0.07 115.64 117.52 3hwg s THR 54 Ca 0.08 -0.32 -0.07 0.00 0.31 0.00 0.00 61.69 61.68 3hwg s THR 54 Cb -0.10 -1.03 -0.03 0.00 0.01 0.00 0.00 72.50 71.35 3hwg s THR 54 CO 0.04 0.36 0.05 -0.63 -0.69 0.00 0.00 174.62 173.76 3hwg s ILE 55 N 1.46 4.45 -0.23 1.82 1.09 0.10 -1.19 121.20 128.70 3hwg s ILE 55 Ca 0.00 -0.14 -0.08 0.00 -1.10 0.00 0.00 60.65 59.34 3hwg s ILE 55 Cb -0.13 -3.03 -0.04 0.00 -1.06 0.00 0.00 42.46 38.20 3hwg s ILE 55 CO -0.05 0.41 0.08 -0.31 -0.10 0.00 0.00 174.94 174.96 3hwg s TYR 56 N 0.95 3.15 -0.16 3.97 2.02 -0.19 -1.41 117.35 125.67 3hwg s TYR 56 Ca 0.03 -0.19 0.00 0.00 -0.37 0.00 0.00 57.07 56.54 3hwg s TYR 56 Cb -0.14 -2.19 0.03 0.00 -0.40 0.00 0.00 41.96 39.26 3hwg s TYR 56 CO 0.03 -0.16 -0.10 -1.21 -1.57 0.00 0.00 175.55 172.54 3hwg s GLU 57 N 1.18 1.90 0.07 -0.62 8.01 -0.45 0.08 118.70 128.86 3hwg s GLU 57 Ca 0.05 -0.59 -0.31 0.00 0.01 0.00 0.00 54.97 54.13 3hwg s GLU 57 Cb -0.14 -2.10 -0.06 0.00 -4.31 0.00 0.00 34.13 27.51 3hwg s GLU 57 CO 0.04 -0.35 1.25 -0.51 0.01 0.00 0.00 175.26 175.70 3hwg s LEU 58 N 1.53 4.36 0.00 1.80 1.43 -1.26 -0.24 118.68 126.30 3hwg s LEU 58 Ca 0.02 2.09 -0.03 0.00 -1.03 0.00 0.00 54.13 55.17 3hwg s LEU 58 Cb -0.14 -3.58 0.16 0.00 0.03 0.00 0.00 46.19 42.65 3hwg s LEU 58 CO -0.09 -0.53 1.05 0.29 0.23 0.00 0.00 176.35 177.30 3hwg n LYS 59 N 4.05 -0.32 -0.07 1.70 5.02 -0.21 -4.94 118.16 123.39 3hwg n LYS 59 Ca 0.10 -2.57 -0.01 0.00 -2.02 0.00 0.00 58.31 53.81 3hwg n LYS 59 Cb 0.45 -0.78 0.26 0.00 -0.02 0.00 0.00 35.03 34.93 3hwg n LYS 59 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 3hwg h GLU 60 N 0.00 0.68 -0.12 1.97 4.11 -1.97 -2.13 114.58 117.13 3hwg h GLU 60 Ca -0.34 -0.13 0.00 0.00 0.07 0.00 0.00 59.36 58.96 3hwg h GLU 60 Cb 1.20 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3hwg h GLU 60 CO 0.34 0.63 0.00 -0.40 0.07 0.00 0.00 179.01 179.65 3hwg n ASP 61 N -4.30 0.69 -0.11 3.06 5.75 -1.26 -4.90 116.55 115.49 3hwg n ASP 61 Ca 0.03 -1.87 -0.01 0.00 -0.01 0.00 0.00 54.79 52.92 3hwg n ASP 61 Cb 0.21 -0.08 -0.01 0.00 -1.03 0.00 0.00 41.12 40.22 3hwg n ASP 61 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3hwg n LYS 62 N -0.18 -0.58 -3.16 0.11 4.01 -0.80 -4.99 118.16 112.57 3hwg n LYS 62 Ca 0.07 0.28 -0.33 0.00 -0.51 0.00 0.00 58.31 57.81 3hwg n LYS 62 Cb 0.13 -3.80 -0.06 0.00 -0.51 0.00 0.00 35.03 30.78 3hwg n LYS 62 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 3hwg s SER 63 N -2.20 6.83 -0.02 4.39 0.01 -1.26 -4.59 113.70 116.86 3hwg s SER 63 Ca 0.00 1.27 -0.21 0.00 1.31 0.00 0.00 55.95 58.32 3hwg s SER 63 Cb 0.00 -2.37 -0.05 0.00 0.21 0.00 0.00 66.02 63.81 3hwg s SER 63 CO 0.00 -0.13 0.61 -0.31 0.41 0.00 0.00 173.24 173.83 3hwg s TYR 64 N -1.85 3.65 -0.26 2.43 1.51 -0.20 -1.04 117.35 121.59 3hwg s TYR 64 Ca 0.50 1.20 -0.26 0.00 -1.01 0.00 0.00 57.07 57.51 3hwg s TYR 64 Cb -0.12 -2.65 0.00 0.00 -0.11 0.00 0.00 41.96 39.08 3hwg s TYR 64 CO 0.19 0.28 0.89 -0.80 -1.11 0.00 0.00 175.55 175.00 3hwg s ASN 65 N 0.07 6.86 -0.29 2.29 0.01 0.67 -1.46 114.94 123.09 3hwg s ASN 65 Ca 0.32 1.03 -0.03 0.00 -0.71 0.00 0.00 52.86 53.47 3hwg s ASN 65 Cb -0.18 -2.46 0.04 0.00 0.41 0.00 0.00 41.25 39.06 3hwg s ASN 65 CO 0.17 -0.61 -0.00 -0.69 -1.51 0.00 0.00 177.10 174.46 3hwg s VAL 66 N 3.04 3.11 -0.23 1.60 1.01 0.12 -1.35 120.40 127.70 3hwg s VAL 66 Ca 0.37 -1.21 -0.03 0.00 0.00 0.00 0.00 61.98 61.12 3hwg s VAL 66 Cb -0.15 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.53 3hwg s VAL 66 CO 0.09 -0.02 -0.05 -0.89 0.00 0.00 0.00 175.10 174.23 3hwg s THR 67 N 1.31 3.11 -0.15 3.92 2.01 -0.50 -0.77 115.64 124.57 3hwg s THR 67 Ca -0.03 -0.75 -0.09 0.00 0.31 0.00 0.00 61.69 61.13 3hwg s THR 67 Cb -0.19 -2.48 -0.05 0.00 0.01 0.00 0.00 72.50 69.79 3hwg s THR 67 CO -0.01 0.32 0.17 -0.44 -0.69 0.00 0.00 174.62 173.97 3hwg s SER 68 N 1.41 6.35 -0.24 3.53 0.01 0.55 0.01 113.70 125.32 3hwg s SER 68 Ca 0.03 0.41 -0.02 0.00 1.31 0.00 0.00 55.95 57.69 3hwg s SER 68 Cb -0.15 -2.10 0.02 0.00 0.21 0.00 0.00 66.02 64.00 3hwg s SER 68 CO -0.04 0.28 -0.07 0.54 0.41 0.00 0.00 173.24 174.37 3hwg s VAL 69 N -0.34 2.92 -0.04 3.43 0.11 0.90 -0.71 120.40 126.66 3hwg s VAL 69 Ca 0.13 -0.92 0.06 0.00 -2.93 0.00 0.00 61.98 58.32 3hwg s VAL 69 Cb -0.12 -2.44 -0.02 0.00 -1.53 0.00 0.00 36.38 32.27 3hwg s VAL 69 CO 0.02 0.26 -0.24 -0.76 -3.33 0.00 0.00 175.10 171.06 3hwg s LEU 70 N 1.35 2.18 -0.51 2.54 2.01 0.72 -2.52 118.68 124.45 3hwg s LEU 70 Ca 0.02 -0.44 -0.20 0.00 0.01 0.00 0.00 54.13 53.52 3hwg s LEU 70 Cb -0.16 -1.39 0.05 0.00 0.01 0.00 0.00 46.19 44.70 3hwg s LEU 70 CO -0.05 0.29 0.68 0.12 1.01 0.00 0.00 176.35 178.41 3hwg s PHE 71 N -0.45 3.01 -0.05 0.29 5.36 -1.26 0.10 117.98 124.98 3hwg s PHE 71 Ca 0.05 -0.41 -0.02 0.00 -0.96 0.00 0.00 56.93 55.59 3hwg s PHE 71 Cb -0.11 -3.61 0.03 0.00 -0.34 0.00 0.00 43.02 38.99 3hwg s PHE 71 CO 0.01 -1.07 0.10 1.03 -1.46 0.00 0.00 175.22 173.82 3hwg s ARG 72 N 2.87 0.05 -1.34 10.12 3.00 0.30 -4.87 118.95 129.07 3hwg s ARG 72 Ca 0.18 0.28 -0.07 0.00 0.00 0.00 0.00 55.73 56.12 3hwg s ARG 72 Cb -0.18 -0.18 0.02 0.00 0.00 0.00 0.00 34.95 34.61 3hwg s ARG 72 CO 0.14 -0.15 1.08 0.36 0.00 0.00 0.00 175.30 176.73 3hwg n LYS 73 N 4.06 -7.09 -1.27 3.54 -0.00 -1.26 -1.90 118.16 114.24 3hwg n LYS 73 Ca -0.25 0.78 -0.09 0.00 -0.00 0.00 0.00 58.31 58.75 3hwg n LYS 73 Cb 0.52 -5.77 -0.04 0.00 -0.00 0.00 0.00 35.03 29.74 3hwg n LYS 73 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3hwg n LYS 74 N -4.71 -1.57 -4.27 -1.58 4.76 -1.26 -4.96 118.16 104.57 3hwg n LYS 74 Ca -0.08 0.80 -0.15 0.00 -2.87 0.00 0.00 58.31 56.02 3hwg n LYS 74 Cb 0.59 -5.14 -0.10 0.00 -1.84 0.00 0.00 35.03 28.54 3hwg n LYS 74 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3hwg s LYS 75 N -2.69 1.15 -0.27 1.97 1.02 -0.80 -5.12 119.74 114.99 3hwg s LYS 75 Ca 0.00 -1.53 -0.20 0.00 0.02 0.00 0.00 55.97 54.26 3hwg s LYS 75 Cb 0.00 -0.56 -0.02 0.00 -0.52 0.00 0.00 37.83 36.74 3hwg s LYS 75 CO 0.00 -0.01 0.63 0.00 -0.92 0.00 0.00 175.35 175.05 3hwg s ASP 77 N 1.53 6.38 -0.23 0.00 -0.00 0.28 -4.91 116.67 119.72 3hwg s ASP 77 Ca 0.26 0.46 -0.01 0.00 -0.00 0.00 0.00 52.55 53.26 3hwg s ASP 77 Cb -0.15 -2.08 0.02 0.00 -0.00 0.00 0.00 42.92 40.71 3hwg s ASP 77 CO 0.10 0.37 -0.09 -0.31 -0.00 0.00 0.00 175.17 175.23 3hwg s TYR 78 N -0.82 3.01 -0.35 4.23 2.02 -1.26 -0.20 117.35 123.99 3hwg s TYR 78 Ca 0.14 -1.58 -0.11 0.00 -0.37 0.00 0.00 57.07 55.15 3hwg s TYR 78 Cb -0.12 -2.02 0.01 0.00 -0.40 0.00 0.00 41.96 39.42 3hwg s TYR 78 CO 0.04 -0.74 0.20 -0.46 -1.57 0.00 0.00 175.55 173.01 3hwg s TRP 79 N 1.31 3.22 -0.10 2.71 -0.00 0.11 -4.94 118.94 121.25 3hwg s TRP 79 Ca 0.01 -0.70 -0.01 0.00 -0.00 0.00 0.00 56.10 55.40 3hwg s TRP 79 Cb -0.16 -2.43 -0.03 0.00 -0.00 0.00 0.00 33.47 30.86 3hwg s TRP 79 CO -0.06 -0.54 -0.06 0.42 -0.00 0.00 0.00 176.95 176.70 3hwg s ILE 80 N 1.61 3.71 0.27 5.86 1.01 -1.26 -0.33 121.20 132.05 3hwg s ILE 80 Ca 0.04 -0.46 -0.16 0.00 0.00 0.00 0.00 60.65 60.07 3hwg s ILE 80 Cb -0.18 -2.55 0.01 0.00 0.01 0.00 0.00 42.46 39.74 3hwg s ILE 80 CO 0.07 0.56 0.58 0.00 0.00 0.00 0.00 174.94 176.16 3hwg s ARG 81 N -0.37 1.67 -0.11 2.79 1.70 0.05 -5.02 118.95 119.66 3hwg s ARG 81 Ca 0.05 -1.16 0.02 0.00 -0.47 0.00 0.00 55.73 54.17 3hwg s ARG 81 Cb -0.12 0.53 0.01 0.00 -0.57 0.00 0.00 34.95 34.80 3hwg s ARG 81 CO 0.02 -0.73 -0.17 0.99 -1.08 0.00 0.00 175.30 174.34 3hwg s THR 82 N -3.91 1.62 -0.37 4.99 2.01 -1.26 0.11 115.64 118.83 3hwg s THR 82 Ca 0.18 -0.72 -0.13 0.00 0.31 0.00 0.00 61.69 61.33 3hwg s THR 82 Cb -0.03 -1.47 0.01 0.00 0.01 0.00 0.00 72.50 71.02 3hwg s THR 82 CO 0.09 0.47 0.24 -0.36 -0.69 0.00 0.00 174.62 174.36 3hwg s PHE 83 N 0.92 3.23 -0.07 4.92 2.99 -0.54 -0.49 117.98 128.94 3hwg s PHE 83 Ca -0.07 -0.56 -0.16 0.00 0.00 0.00 0.00 56.93 56.14 3hwg s PHE 83 Cb -0.15 -2.49 -0.05 0.00 0.00 0.00 0.00 43.02 40.33 3hwg s PHE 83 CO -0.01 -0.52 0.41 0.54 -0.00 0.00 0.00 175.22 175.64 3hwg s VAL 84 N 1.65 5.14 0.20 -0.44 0.11 0.98 -1.04 120.40 127.00 3hwg s VAL 84 Ca 0.05 0.82 -0.32 0.00 -2.93 0.00 0.00 61.98 59.60 3hwg s VAL 84 Cb -0.18 -3.73 -0.15 0.00 -1.53 0.00 0.00 36.38 30.79 3hwg s VAL 84 CO 0.09 0.45 1.28 -2.65 -3.33 0.00 0.00 175.10 170.94 3hwg n PRO 85 N 2.82 1.56 0.00 1.54 -0.02 -1.26 -0.63 135.00 139.02 3hwg n PRO 85 Ca -0.11 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 3hwg n PRO 85 Cb 0.52 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 3hwg n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hwg n GLY 86 N 2.11 1.82 0.26 -1.23 0.00 0.41 -4.70 105.19 103.87 3hwg n GLY 86 Ca 0.14 -1.81 0.13 0.00 0.00 0.00 0.00 46.02 44.48 3hwg n GLY 86 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hwg h SER 87 N 0.00 0.00 -5.06 1.61 4.64 -1.94 -3.45 113.55 109.34 3hwg h SER 87 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3hwg h SER 87 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.96 3hwg h SER 87 CO 0.00 0.13 -0.01 0.00 -0.87 0.00 0.00 176.83 176.08 3hwg s GLN 88 N -3.96 1.12 0.18 4.77 -2.07 -1.26 -5.09 119.66 113.35 3hwg s GLN 88 Ca -0.01 -0.66 -0.32 0.00 -1.82 0.00 0.00 55.36 52.54 3hwg s GLN 88 Cb 0.12 0.50 -0.12 0.00 -1.09 0.00 0.00 33.01 32.41 3hwg s GLN 88 CO 0.58 -0.45 1.74 -2.30 -1.32 0.00 0.00 175.29 173.55 3hwg n PRO 89 N -0.26 2.74 0.00 9.60 -0.02 -1.26 -1.28 135.00 144.52 3hwg n PRO 89 Ca -0.16 0.99 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 3hwg n PRO 89 Cb 0.64 -2.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 3hwg n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hwg n GLY 90 N 4.00 0.57 3.69 -1.23 0.00 -1.26 -4.58 105.19 106.39 3hwg n GLY 90 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 3hwg n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hwg s GLU 91 N -0.90 2.74 0.07 1.61 2.02 -0.40 -0.90 118.70 122.94 3hwg s GLU 91 Ca 0.00 -0.67 -0.08 0.00 0.02 0.00 0.00 54.97 54.24 3hwg s GLU 91 Cb 0.00 -2.65 -0.01 0.00 0.10 0.00 0.00 34.13 31.58 3hwg s GLU 91 CO 0.00 0.60 0.16 -0.06 0.02 0.00 0.00 175.26 175.98 3hwg s PHE 92 N -1.16 0.18 0.29 1.61 0.40 -0.05 -0.44 117.98 118.80 3hwg s PHE 92 Ca 0.22 -0.57 0.08 0.00 -0.60 0.00 0.00 56.93 56.05 3hwg s PHE 92 Cb -0.12 -0.10 -0.06 0.00 0.51 0.00 0.00 43.02 43.26 3hwg s PHE 92 CO 0.13 -0.49 -0.09 -0.08 0.70 0.00 0.00 175.22 175.39 3hwg s THR 93 N -3.53 1.89 -0.06 0.64 -1.32 0.20 -0.81 115.64 112.66 3hwg s THR 93 Ca 0.03 -2.18 -0.24 0.00 -1.21 0.00 0.00 61.69 58.09 3hwg s THR 93 Cb 0.04 -2.46 -0.04 0.00 -1.51 0.00 0.00 72.50 68.53 3hwg s THR 93 CO -0.09 -0.31 0.72 -0.22 -2.21 0.00 0.00 174.62 172.52 3hwg s LEU 94 N -3.48 4.33 0.34 9.08 2.96 -1.22 -0.02 118.68 130.67 3hwg s LEU 94 Ca 0.30 1.23 -0.26 0.00 -0.22 0.00 0.00 54.13 55.18 3hwg s LEU 94 Cb 0.02 -3.13 -0.09 0.00 0.50 0.00 0.00 46.19 43.49 3hwg s LEU 94 CO 0.13 -0.12 1.00 -0.83 -1.32 0.00 0.00 176.35 175.21 3hwg s GLY 95 N 0.79 2.81 -1.09 7.98 0.00 0.36 -4.16 107.32 114.01 3hwg s GLY 95 Ca 0.39 0.63 -0.17 0.00 0.00 0.00 0.00 44.72 45.57 3hwg s GLY 95 CO 0.19 1.09 0.81 -2.01 0.00 0.00 0.00 173.10 173.18 3hwg n ASN 96 N 0.42 -5.70 0.28 1.64 5.15 -1.26 -4.63 115.26 111.17 3hwg n ASN 96 Ca 0.03 -0.91 0.18 0.00 -0.60 0.00 0.00 54.58 53.27 3hwg n ASN 96 Cb 0.49 -3.75 0.73 0.00 -0.53 0.00 0.00 39.78 36.72 3hwg n ASN 96 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 3hwg h ILE 97 N -1.57 0.00 0.00 -1.44 2.10 -1.95 -2.91 117.51 111.74 3hwg h ILE 97 Ca -0.62 -0.48 -0.03 0.00 1.08 0.00 0.00 64.86 64.82 3hwg h ILE 97 Cb 1.33 1.48 -0.00 0.00 -1.09 0.00 0.00 36.82 38.54 3hwg h ILE 97 CO 0.46 0.00 -0.12 0.11 -1.08 0.00 0.00 178.15 177.52 3hwg h LYS 98 N 0.00 0.00 0.00 2.19 1.57 -1.90 -2.67 116.57 115.76 3hwg h LYS 98 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3hwg h LYS 98 Cb 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 3hwg h LYS 98 CO 0.00 0.12 -0.03 0.66 -0.57 0.00 0.00 179.45 179.63 3hwg h SER 99 N 0.00 0.00 -3.41 0.86 4.64 -1.89 -3.41 113.55 110.34 3hwg h SER 99 Ca -0.00 0.00 -0.72 0.00 -0.47 0.00 0.00 61.79 60.60 3hwg h SER 99 Cb 0.43 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.32 3hwg h SER 99 CO 0.02 0.03 -0.28 -0.31 -0.87 0.00 0.00 176.83 175.42 3hwg s TYR 100 N -3.58 3.20 0.16 4.77 1.51 -1.01 -5.05 117.35 117.34 3hwg s TYR 100 Ca 0.02 -0.64 -0.31 0.00 -1.01 0.00 0.00 57.07 55.12 3hwg s TYR 100 Cb 0.08 -2.99 -0.10 0.00 -0.11 0.00 0.00 41.96 38.85 3hwg s TYR 100 CO 0.58 -0.75 1.57 -2.14 -1.11 0.00 0.00 175.55 173.70 3hwg s PRO 101 N 1.90 4.22 0.00 -1.71 0.02 -1.26 -2.50 135.00 135.67 3hwg s PRO 101 Ca 0.08 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.45 3hwg s PRO 101 Cb -0.20 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.13 3hwg s PRO 101 CO 0.10 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 176.57 3hwg n GLY 102 N 3.76 2.13 3.62 0.52 0.00 -1.26 -4.88 105.19 109.08 3hwg n GLY 102 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3hwg n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hwg s LEU 103 N 0.00 4.07 -0.01 0.99 2.96 -1.04 -0.62 118.68 125.02 3hwg s LEU 103 Ca 0.00 0.73 0.12 0.00 -0.22 0.00 0.00 54.13 54.76 3hwg s LEU 103 Cb 0.00 -3.15 -0.18 0.00 0.50 0.00 0.00 46.19 43.36 3hwg s LEU 103 CO 0.00 -0.65 0.29 0.35 -1.32 0.00 0.00 176.35 175.02 3hwg n THR 104 N 5.57 0.00 -3.73 3.68 -2.24 -0.40 -4.82 114.28 112.35 3hwg n THR 104 Ca 0.05 -0.27 -0.14 0.00 -2.27 0.00 0.00 64.05 61.43 3hwg n THR 104 Cb 0.48 0.33 -0.09 0.00 -2.10 0.00 0.00 70.33 68.95 3hwg n THR 104 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3hwg s SER 105 N -3.20 -0.30 -0.30 3.42 0.15 -1.10 -4.95 113.70 107.42 3hwg s SER 105 Ca -0.03 0.32 -0.05 0.00 0.70 0.00 0.00 55.95 56.89 3hwg s SER 105 Cb 0.08 0.45 0.16 0.00 -1.71 0.00 0.00 66.02 65.00 3hwg s SER 105 CO 0.49 -0.39 0.62 -0.47 1.20 0.00 0.00 173.24 174.69 3hwg s TYR 106 N -0.96 -1.47 -0.03 3.44 6.14 -1.26 -1.19 117.35 122.03 3hwg s TYR 106 Ca -0.10 2.00 0.06 0.00 0.64 0.00 0.00 57.07 59.67 3hwg s TYR 106 Cb -0.04 0.68 -0.01 0.00 0.42 0.00 0.00 41.96 43.00 3hwg s TYR 106 CO 0.04 -0.78 -0.21 -1.17 0.64 0.00 0.00 175.55 174.07 3hwg s LEU 107 N 2.87 2.03 -0.04 6.97 2.96 0.19 -3.37 118.68 130.28 3hwg s LEU 107 Ca 0.08 -0.40 0.06 0.00 -0.22 0.00 0.00 54.13 53.65 3hwg s LEU 107 Cb -0.14 -1.12 -0.01 0.00 0.50 0.00 0.00 46.19 45.42 3hwg s LEU 107 CO -0.20 0.25 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.16 3hwg s VAL 108 N -0.38 1.81 -0.09 1.68 1.01 0.01 -0.77 120.40 123.67 3hwg s VAL 108 Ca 0.05 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 3hwg s VAL 108 Cb -0.10 -1.53 0.04 0.00 0.00 0.00 0.00 36.38 34.80 3hwg s VAL 108 CO 0.00 0.51 0.05 -0.60 0.00 0.00 0.00 175.10 175.06 3hwg s ARG 109 N -0.19 0.16 -0.41 2.72 3.52 0.78 -0.87 118.95 124.65 3hwg s ARG 109 Ca -0.01 0.16 -0.29 0.00 -0.13 0.00 0.00 55.73 55.46 3hwg s ARG 109 Cb -0.12 -1.03 0.00 0.00 -1.56 0.00 0.00 34.95 32.24 3hwg s ARG 109 CO 0.02 -0.43 1.52 0.08 -0.81 0.00 0.00 175.30 175.68 3hwg s VAL 110 N 2.10 3.77 0.01 7.11 1.01 -0.08 0.01 120.40 134.33 3hwg s VAL 110 Ca 0.04 0.77 -0.20 0.00 0.00 0.00 0.00 61.98 62.59 3hwg s VAL 110 Cb -0.13 -4.08 -0.22 0.00 0.00 0.00 0.00 36.38 31.94 3hwg s VAL 110 CO -0.05 -0.72 1.12 0.58 0.00 0.00 0.00 175.10 176.03 3hwg h VAL 111 N 6.56 1.42 -2.17 2.92 2.07 -0.36 0.29 116.25 126.98 3hwg h VAL 111 Ca -0.29 -2.01 -0.03 0.00 0.82 0.00 0.00 66.70 65.19 3hwg h VAL 111 Cb 1.12 2.52 -0.18 0.00 -1.52 0.00 0.00 31.29 33.24 3hwg h VAL 111 CO 1.08 0.59 0.25 -0.94 0.02 0.00 0.00 177.57 178.57 3hwg s SER 112 N -6.70 -0.59 -0.17 0.57 1.04 -0.93 -2.74 113.70 104.18 3hwg s SER 112 Ca -0.13 0.50 -0.29 0.00 0.48 0.00 0.00 55.95 56.50 3hwg s SER 112 Cb 0.04 0.51 0.12 0.00 0.10 0.00 0.00 66.02 66.79 3hwg s SER 112 CO 0.82 -0.65 0.95 0.28 0.98 0.00 0.00 173.24 175.62 3hwg s THR 113 N -1.81 0.00 -1.36 2.02 -1.32 -1.26 -0.01 115.64 111.90 3hwg s THR 113 Ca -0.07 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.56 3hwg s THR 113 Cb -0.00 -1.00 0.40 0.00 -1.51 0.00 0.00 72.50 70.38 3hwg s THR 113 CO 0.03 0.00 1.32 -0.46 -2.21 0.00 0.00 174.62 173.30 3hwg n ASN 114 N 1.10 3.19 0.00 8.08 6.94 -1.05 -5.02 115.26 128.50 3hwg n ASN 114 Ca -0.12 -1.96 0.00 0.00 -0.02 0.00 0.00 54.58 52.48 3hwg n ASN 114 Cb 0.57 -0.29 0.00 0.00 -2.36 0.00 0.00 39.78 37.70 3hwg n ASN 114 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 3hwg n TYR 115 N 0.91 0.00 0.44 -2.53 4.01 -1.25 -4.47 117.16 114.28 3hwg n TYR 115 Ca 0.15 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.95 3hwg n TYR 115 Cb 0.49 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.54 3hwg n TYR 115 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 3hwg n ASN 116 N 0.87 1.62 0.00 7.72 0.23 -1.26 -4.82 115.26 119.61 3hwg n ASN 116 Ca 0.00 -1.31 0.00 0.00 -0.53 0.00 0.00 54.58 52.74 3hwg n ASN 116 Cb 0.00 0.19 0.00 0.00 -2.08 0.00 0.00 39.78 37.89 3hwg n ASN 116 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hwg n GLN 117 N 0.26 0.00 -3.94 -3.83 3.00 -1.26 -4.79 117.38 106.81 3hwg n GLN 117 Ca 0.05 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.95 3hwg n GLN 117 Cb 0.24 -0.12 -0.07 0.00 0.00 0.00 0.00 30.24 30.29 3hwg n GLN 117 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.06 173.68 3hwg s HIS 118 N -1.85 0.36 0.04 1.08 -3.43 -1.26 -0.09 115.29 110.15 3hwg s HIS 118 Ca 0.00 -0.74 -0.28 0.00 -0.80 0.00 0.00 55.06 53.24 3hwg s HIS 118 Cb 0.00 -0.08 0.07 0.00 -1.43 0.00 0.00 32.58 31.14 3hwg s HIS 118 CO 0.00 -0.67 0.65 0.00 -2.00 0.00 0.00 174.74 172.72 3hwg s ALA 119 N -3.95 -1.70 -0.11 -1.38 0.00 -0.21 -2.54 121.76 111.87 3hwg s ALA 119 Ca 0.15 0.97 0.02 0.00 0.00 0.00 0.00 51.96 53.09 3hwg s ALA 119 Cb 0.04 0.38 0.01 0.00 0.00 0.00 0.00 23.12 23.55 3hwg s ALA 119 CO -0.03 -0.54 -0.16 -1.64 0.00 0.00 0.00 175.76 173.39 3hwg s MET 120 N -2.29 2.29 -0.04 0.00 -1.94 0.98 0.82 119.30 119.12 3hwg s MET 120 Ca -0.06 -0.59 0.04 0.00 -1.71 0.00 0.00 55.69 53.38 3hwg s MET 120 Cb -0.00 -1.92 -0.00 0.00 2.01 0.00 0.00 34.83 34.91 3hwg s MET 120 CO 0.00 -0.05 -0.18 0.08 -0.01 0.00 0.00 175.02 174.87 3hwg s VAL 121 N 0.94 1.46 -0.11 -6.03 1.01 -0.65 0.25 120.40 117.26 3hwg s VAL 121 Ca -0.07 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.14 3hwg s VAL 121 Cb -0.15 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 3hwg s VAL 121 CO -0.01 0.42 0.01 0.12 0.00 0.00 0.00 175.10 175.64 3hwg s PHE 122 N 0.00 3.18 -0.03 5.22 2.19 0.10 -1.18 117.98 127.46 3hwg s PHE 122 Ca -0.03 0.12 0.05 0.00 0.33 0.00 0.00 56.93 57.39 3hwg s PHE 122 Cb -0.11 -1.87 -0.01 0.00 -1.31 0.00 0.00 43.02 39.72 3hwg s PHE 122 CO 0.02 0.35 -0.17 -0.06 1.83 0.00 0.00 175.22 177.19 3hwg s PHE 123 N -0.49 1.65 -0.06 10.12 0.08 0.55 -0.16 117.98 129.67 3hwg s PHE 123 Ca 0.09 -0.39 0.01 0.00 0.12 0.00 0.00 56.93 56.75 3hwg s PHE 123 Cb -0.12 -1.09 0.02 0.00 -0.57 0.00 0.00 43.02 41.26 3hwg s PHE 123 CO 0.02 -0.10 -0.07 0.21 -0.10 0.00 0.00 175.22 175.19 3hwg s LYS 124 N -0.19 1.17 0.02 0.44 2.20 0.05 -1.19 119.74 122.25 3hwg s LYS 124 Ca 0.02 -0.20 0.03 0.00 -0.36 0.00 0.00 55.97 55.45 3hwg s LYS 124 Cb -0.09 -1.13 -0.02 0.00 -1.51 0.00 0.00 37.83 35.08 3hwg s LYS 124 CO 0.01 -0.10 -0.09 -1.59 -0.36 0.00 0.00 175.35 173.22 3hwg s LYS 125 N 1.06 0.60 -0.30 4.03 -2.85 -0.07 0.53 119.74 122.75 3hwg s LYS 125 Ca -0.08 -0.56 -0.05 0.00 -1.00 0.00 0.00 55.97 54.28 3hwg s LYS 125 Cb -0.14 -0.51 0.03 0.00 -2.06 0.00 0.00 37.83 35.15 3hwg s LYS 125 CO -0.01 0.12 0.06 0.08 0.10 0.00 0.00 175.35 175.70 3hwg s VAL 126 N -0.79 3.60 -0.09 1.79 1.01 -0.33 -0.39 120.40 125.20 3hwg s VAL 126 Ca -0.03 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 60.96 3hwg s VAL 126 Cb -0.07 -2.95 0.02 0.00 0.00 0.00 0.00 36.38 33.39 3hwg s VAL 126 CO 0.00 -0.02 -0.08 -0.55 0.00 0.00 0.00 175.10 174.45 3hwg s SER 127 N 1.40 1.85 -1.48 3.32 0.15 -0.38 -1.28 113.70 117.29 3hwg s SER 127 Ca -0.00 -0.26 -0.07 0.00 0.70 0.00 0.00 55.95 56.31 3hwg s SER 127 Cb -0.18 -0.76 0.05 0.00 -1.71 0.00 0.00 66.02 63.42 3hwg s SER 127 CO 0.01 -0.07 0.72 0.00 1.20 0.00 0.00 173.24 175.10 3hwg n GLN 128 N 4.47 -4.30 -0.66 5.44 6.02 0.21 -1.39 117.38 127.17 3hwg n GLN 128 Ca -0.17 0.50 0.00 0.00 -0.01 0.00 0.00 57.00 57.32 3hwg n GLN 128 Cb 0.51 -5.06 0.00 0.00 1.02 0.00 0.00 30.24 26.70 3hwg n GLN 128 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3hwg n ASN 129 N -2.90 0.00 -4.79 1.08 5.03 -1.26 -4.98 115.26 107.44 3hwg n ASN 129 Ca -0.13 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 54.95 3hwg n ASN 129 Cb 0.60 -1.54 -0.07 0.00 -1.02 0.00 0.00 39.78 37.76 3hwg n ASN 129 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3hwg s ARG 130 N -0.60 3.97 -0.47 3.52 0.52 -0.49 -5.06 118.95 120.34 3hwg s ARG 130 Ca 0.00 0.07 -0.17 0.00 -0.52 0.00 0.00 55.73 55.11 3hwg s ARG 130 Cb 0.00 -3.32 0.05 0.00 0.52 0.00 0.00 34.95 32.20 3hwg s ARG 130 CO 0.00 0.48 0.50 -2.00 0.02 0.00 0.00 175.30 174.31 3hwg s GLU 131 N -0.26 3.07 0.07 3.54 2.12 -1.26 -1.25 118.70 124.72 3hwg s GLU 131 Ca 0.17 -1.00 0.01 0.00 0.36 0.00 0.00 54.97 54.50 3hwg s GLU 131 Cb -0.13 -4.08 -0.04 0.00 0.26 0.00 0.00 34.13 30.14 3hwg s GLU 131 CO 0.05 -1.07 0.17 0.71 -0.54 0.00 0.00 175.26 174.58 3hwg s TYR 132 N 2.19 3.41 0.02 5.30 1.51 0.48 -4.53 117.35 125.73 3hwg s TYR 132 Ca 0.11 0.19 -0.05 0.00 -1.01 0.00 0.00 57.07 56.31 3hwg s TYR 132 Cb -0.20 -1.71 -0.01 0.00 -0.11 0.00 0.00 41.96 39.93 3hwg s TYR 132 CO 0.11 0.57 0.08 -0.59 -1.11 0.00 0.00 175.55 174.60 3hwg s PHE 133 N -1.47 0.16 0.04 2.71 -0.71 -1.26 -0.89 117.98 116.56 3hwg s PHE 133 Ca 0.33 -0.38 -0.06 0.00 -1.04 0.00 0.00 56.93 55.78 3hwg s PHE 133 Cb -0.13 -0.12 -0.01 0.00 -1.21 0.00 0.00 43.02 41.55 3hwg s PHE 133 CO 0.26 -0.29 0.11 -1.59 -1.34 0.00 0.00 175.22 172.37 3hwg s LYS 134 N -1.90 0.59 -0.07 1.99 -2.85 -0.33 -2.13 119.74 115.04 3hwg s LYS 134 Ca -0.11 -0.71 0.05 0.00 -1.00 0.00 0.00 55.97 54.20 3hwg s LYS 134 Cb -0.06 0.23 -0.00 0.00 -2.06 0.00 0.00 37.83 35.95 3hwg s LYS 134 CO -0.01 -0.15 -0.23 0.42 0.10 0.00 0.00 175.35 175.48 3hwg s ILE 135 N -2.50 1.90 -0.08 3.79 1.09 0.22 -0.33 121.20 125.28 3hwg s ILE 135 Ca -0.06 -0.95 0.03 0.00 -1.10 0.00 0.00 60.65 58.57 3hwg s ILE 135 Cb -0.02 -1.63 -0.01 0.00 -1.06 0.00 0.00 42.46 39.74 3hwg s ILE 135 CO -0.04 0.53 -0.18 0.42 -0.10 0.00 0.00 174.94 175.56 3hwg s THR 136 N 0.14 2.64 -0.44 2.92 -4.23 -0.33 -0.76 115.64 115.57 3hwg s THR 136 Ca -0.11 -0.84 -0.19 0.00 -1.18 0.00 0.00 61.69 59.37 3hwg s THR 136 Cb -0.15 -2.04 0.03 0.00 1.34 0.00 0.00 72.50 71.68 3hwg s THR 136 CO 0.06 0.56 0.56 -0.22 -0.54 0.00 0.00 174.62 175.03 3hwg s LEU 137 N -0.08 4.72 0.04 4.79 2.96 0.63 -1.64 118.68 130.10 3hwg s LEU 137 Ca -0.04 -0.56 -0.21 0.00 -0.22 0.00 0.00 54.13 53.10 3hwg s LEU 137 Cb -0.14 -2.55 -0.06 0.00 0.50 0.00 0.00 46.19 43.94 3hwg s LEU 137 CO 0.04 -0.72 0.61 -0.31 -1.32 0.00 0.00 176.35 174.66 3hwg s TYR 138 N 2.51 3.76 -0.03 5.38 2.02 0.24 -1.41 117.35 129.82 3hwg s TYR 138 Ca 0.17 1.29 0.06 0.00 -0.37 0.00 0.00 57.07 58.22 3hwg s TYR 138 Cb -0.16 -2.59 -0.01 0.00 -0.40 0.00 0.00 41.96 38.79 3hwg s TYR 138 CO 0.16 0.46 -0.22 0.20 -1.57 0.00 0.00 175.55 174.57 3hwg s GLY 139 N -0.63 1.12 0.22 0.71 0.00 0.12 -1.05 107.32 107.80 3hwg s GLY 139 Ca 0.31 -0.95 0.02 0.00 0.00 0.00 0.00 44.72 44.11 3hwg s GLY 139 CO 0.19 -0.70 1.53 -0.09 0.00 0.00 0.00 173.10 174.03 3hwg h ARG 140 N 5.79 0.32 -6.32 2.90 9.65 -0.79 0.53 114.38 126.47 3hwg h ARG 140 Ca -0.37 -0.22 -0.48 0.00 -1.10 0.00 0.00 59.98 57.81 3hwg h ARG 140 Cb 1.15 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.76 3hwg h ARG 140 CO 0.47 0.84 -0.29 0.95 2.80 0.00 0.00 179.97 184.74 3hwg s THR 141 N -3.78 2.60 -0.64 0.20 -4.23 -1.26 -4.68 115.64 103.85 3hwg s THR 141 Ca -0.05 -1.19 0.25 0.00 -1.18 0.00 0.00 61.69 59.53 3hwg s THR 141 Cb 0.12 -2.78 0.28 0.00 1.34 0.00 0.00 72.50 71.45 3hwg s THR 141 CO 0.81 0.00 1.76 0.29 -0.54 0.00 0.00 174.62 176.94 3hwg n LYS 142 N -1.78 0.25 -4.76 3.99 5.02 -1.26 -4.66 118.16 114.95 3hwg n LYS 142 Ca 0.07 0.29 -0.29 0.00 -2.02 0.00 0.00 58.31 56.35 3hwg n LYS 142 Cb 0.61 -1.84 -0.14 0.00 -0.02 0.00 0.00 35.03 33.64 3hwg n LYS 142 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3hwg s GLU 143 N -3.18 1.65 0.21 1.97 0.41 -1.26 -4.86 118.70 113.64 3hwg s GLU 143 Ca 0.08 -1.13 0.04 0.00 -0.41 0.00 0.00 54.97 53.56 3hwg s GLU 143 Cb 0.11 -1.87 -0.05 0.00 -1.78 0.00 0.00 34.13 30.54 3hwg s GLU 143 CO 0.53 0.48 -0.04 -0.51 -0.49 0.00 0.00 175.26 175.23 3hwg s LEU 144 N -1.39 2.31 0.77 1.80 1.43 -1.26 -4.91 118.68 117.43 3hwg s LEU 144 Ca 0.11 -1.15 -0.12 0.00 -1.03 0.00 0.00 54.13 51.94 3hwg s LEU 144 Cb -0.10 -0.31 0.06 0.00 0.03 0.00 0.00 46.19 45.87 3hwg s LEU 144 CO 0.03 -0.44 1.13 0.42 0.23 0.00 0.00 176.35 177.71 3hwg s THR 145 N -3.37 2.88 0.42 5.49 -4.23 -1.26 -4.86 115.64 110.69 3hwg s THR 145 Ca 0.25 0.33 0.09 0.00 -1.18 0.00 0.00 61.69 61.18 3hwg s THR 145 Cb 0.04 -2.74 0.23 0.00 1.34 0.00 0.00 72.50 71.38 3hwg s THR 145 CO 0.06 -0.32 2.02 0.28 -0.54 0.00 0.00 174.62 176.12 3hwg h SER 146 N -0.90 0.34 -0.07 3.99 0.02 -2.01 -2.29 113.55 112.64 3hwg h SER 146 Ca -0.45 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 3hwg h SER 146 Cb 1.25 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 3hwg h SER 146 CO 0.50 0.32 0.03 -0.08 -1.14 0.00 0.00 176.83 176.45 3hwg h GLU 147 N 0.39 0.06 -0.59 3.45 4.81 -1.99 0.54 114.58 121.25 3hwg h GLU 147 Ca 0.10 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.24 3hwg h GLU 147 Cb 0.09 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 3hwg h GLU 147 CO -0.01 0.04 0.04 -0.07 -0.73 0.00 0.00 179.01 178.28 3hwg h LEU 148 N 0.06 0.96 -0.42 1.64 3.38 -1.84 -0.87 115.31 118.22 3hwg h LEU 148 Ca 0.03 -0.24 -0.17 0.00 0.09 0.00 0.00 57.88 57.58 3hwg h LEU 148 Cb 0.01 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 3hwg h LEU 148 CO -0.02 0.99 -0.52 0.11 0.09 0.00 0.00 178.44 179.09 3hwg h LYS 149 N 0.92 0.74 -0.36 1.13 1.57 -1.32 -2.15 116.57 117.10 3hwg h LYS 149 Ca 0.18 -0.45 -0.10 0.00 -1.87 0.00 0.00 60.65 58.41 3hwg h LYS 149 Cb 0.48 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 3hwg h LYS 149 CO 0.02 1.07 -0.17 0.93 -0.57 0.00 0.00 179.45 180.73 3hwg h GLU 150 N 0.58 0.67 -0.69 3.15 3.07 -0.72 -1.61 114.58 119.02 3hwg h GLU 150 Ca 0.02 -0.24 -0.03 0.00 -0.50 0.00 0.00 59.36 58.62 3hwg h GLU 150 Cb 1.09 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.92 3hwg h GLU 150 CO 0.11 0.81 0.33 -0.97 -1.40 0.00 0.00 179.01 177.88 3hwg h ASN 151 N 0.60 0.91 -0.51 1.42 -1.24 -1.07 -0.43 115.58 115.24 3hwg h ASN 151 Ca 0.10 -0.14 -0.01 0.00 0.71 0.00 0.00 56.30 56.96 3hwg h ASN 151 Cb 0.63 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.43 3hwg h ASN 151 CO 0.04 0.79 0.27 0.15 -1.29 0.00 0.00 177.43 177.39 3hwg h PHE 152 N 0.96 0.71 -0.32 0.67 3.04 -1.15 0.06 116.94 120.91 3hwg h PHE 152 Ca 0.24 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.15 3hwg h PHE 152 Cb 0.13 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.40 3hwg h PHE 152 CO 0.01 0.54 0.15 0.82 -2.02 0.00 0.00 178.31 177.81 3hwg h ILE 153 N 0.68 1.16 -0.59 1.41 2.04 -1.10 0.13 117.51 121.24 3hwg h ILE 153 Ca 0.18 -0.47 0.03 0.00 1.00 0.00 0.00 64.86 65.60 3hwg h ILE 153 Cb 0.07 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 3hwg h ILE 153 CO -0.03 0.17 0.36 0.03 0.00 0.00 0.00 178.15 178.68 3hwg h ARG 154 N 0.39 0.69 -0.48 2.37 3.08 -0.90 -0.55 114.38 118.97 3hwg h ARG 154 Ca 0.11 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 3hwg h ARG 154 Cb 0.13 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3hwg h ARG 154 CO -0.01 0.45 0.05 0.35 -1.07 0.00 0.00 179.97 179.74 3hwg h PHE 155 N 0.71 0.87 -0.55 3.04 3.57 -0.76 -1.23 116.94 122.59 3hwg h PHE 155 Ca 0.24 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 3hwg h PHE 155 Cb 0.02 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.50 3hwg h PHE 155 CO -0.06 0.82 0.32 0.77 -2.23 0.00 0.00 178.31 177.93 3hwg h SER 156 N 0.68 0.68 -0.34 0.41 0.02 -0.73 -2.38 113.55 111.88 3hwg h SER 156 Ca 0.14 -0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 60.98 3hwg h SER 156 Cb 0.43 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 3hwg h SER 156 CO 0.01 0.56 0.09 0.11 -1.14 0.00 0.00 176.83 176.47 3hwg h LYS 157 N 0.75 0.62 0.00 3.45 1.57 -0.97 -2.05 116.57 119.93 3hwg h LYS 157 Ca 0.20 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3hwg h LYS 157 Cb 0.02 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 3hwg h LYS 157 CO -0.03 0.58 -0.01 0.66 -0.57 0.00 0.00 179.45 180.07 3hwg h SER 158 N 0.61 0.00 -0.57 0.86 4.64 -0.72 -1.54 113.55 116.83 3hwg h SER 158 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3hwg h SER 158 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3hwg h SER 158 CO -0.00 0.01 0.00 0.18 -0.87 0.00 0.00 176.83 176.15 3hwg n LEU 159 N -3.13 3.26 0.00 5.97 4.77 -0.81 -4.94 117.00 122.12 3hwg n LEU 159 Ca -0.01 -1.64 0.00 0.00 -0.03 0.00 0.00 56.01 54.34 3hwg n LEU 159 Cb 0.23 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 3hwg n LEU 159 CO 0.25 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 3hwg n GLY 160 N 1.34 0.52 3.71 -0.72 0.00 -0.58 -4.54 105.19 104.93 3hwg n GLY 160 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3hwg n GLY 160 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hwg s LEU 161 N 0.00 4.34 0.86 0.99 1.43 -0.96 -4.99 118.68 120.36 3hwg s LEU 161 Ca 0.00 1.40 -0.12 0.00 -1.03 0.00 0.00 54.13 54.38 3hwg s LEU 161 Cb 0.00 -3.30 0.14 0.00 0.03 0.00 0.00 46.19 43.06 3hwg s LEU 161 CO 0.00 -0.18 1.21 -2.16 0.23 0.00 0.00 176.35 175.46 3hwg s PRO 162 N 0.87 1.33 0.25 1.29 0.04 -1.26 -3.80 135.00 133.73 3hwg s PRO 162 Ca 0.44 -0.29 -0.06 0.00 0.04 0.00 0.00 61.00 61.13 3hwg s PRO 162 Cb -0.19 -1.96 0.28 0.00 0.04 0.00 0.00 34.50 32.66 3hwg s PRO 162 CO 0.23 -1.93 1.93 0.93 0.04 0.00 0.00 177.00 178.19 3hwg h GLU 163 N -1.24 1.31 0.00 4.56 4.39 -1.97 -1.54 114.58 120.10 3hwg h GLU 163 Ca -0.44 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.18 3hwg h GLU 163 Cb 1.28 -0.30 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 3hwg h GLU 163 CO 0.50 0.87 0.00 0.27 -1.16 0.00 0.00 179.01 179.48 3hwg n ASN 164 N -4.39 0.00 -1.10 1.42 6.94 -1.26 -1.10 115.26 115.78 3hwg n ASN 164 Ca 0.12 -0.06 0.10 0.00 -0.02 0.00 0.00 54.58 54.72 3hwg n ASN 164 Cb 0.02 -0.24 0.26 0.00 -2.36 0.00 0.00 39.78 37.46 3hwg n ASN 164 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3hwg n HIS 165 N -1.24 0.77 -4.08 -2.53 8.25 -0.58 -0.69 115.22 115.12 3hwg n HIS 165 Ca 0.09 -0.47 -0.32 0.00 -0.26 0.00 0.00 57.72 56.75 3hwg n HIS 165 Cb 0.12 -0.01 -0.16 0.00 1.12 0.00 0.00 29.99 31.06 3hwg n HIS 165 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3hwg s ILE 166 N -1.03 1.88 0.14 1.59 1.01 -0.26 -2.31 121.20 122.23 3hwg s ILE 166 Ca 0.40 -0.86 0.09 0.00 0.00 0.00 0.00 60.65 60.27 3hwg s ILE 166 Cb 0.21 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.90 3hwg s ILE 166 CO 0.27 0.48 -0.19 0.68 0.00 0.00 0.00 174.94 176.18 3hwg s VAL 167 N 1.36 1.81 -0.40 2.92 -7.23 0.15 -4.88 120.40 114.11 3hwg s VAL 167 Ca 0.04 -1.80 0.04 0.00 -1.81 0.00 0.00 61.98 58.45 3hwg s VAL 167 Cb -0.13 -1.76 0.11 0.00 0.56 0.00 0.00 36.38 35.16 3hwg s VAL 167 CO -0.12 -0.22 0.13 -0.36 -0.31 0.00 0.00 175.10 174.22 3hwg s PHE 168 N -1.74 3.56 0.28 2.82 0.40 -1.26 -0.11 117.98 121.93 3hwg s PHE 168 Ca 0.13 -3.05 -0.29 0.00 -0.60 0.00 0.00 56.93 53.11 3hwg s PHE 168 Cb -0.07 -2.90 -0.14 0.00 0.51 0.00 0.00 43.02 40.42 3hwg s PHE 168 CO 0.06 -0.88 1.18 -2.30 0.70 0.00 0.00 175.22 173.98 3hwg n PRO 169 N 3.86 1.65 -2.45 0.24 -0.02 -1.24 -4.91 135.00 132.13 3hwg n PRO 169 Ca 0.04 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.68 3hwg n PRO 169 Cb 0.39 -2.08 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 3hwg n PRO 169 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hwg s VAL 170 N -0.76 4.18 0.29 -1.45 0.11 -0.51 -4.41 120.40 117.85 3hwg s VAL 170 Ca 0.62 1.54 -0.29 0.00 -2.93 0.00 0.00 61.98 60.91 3hwg s VAL 170 Cb -0.68 -3.99 -0.13 0.00 -1.53 0.00 0.00 36.38 30.05 3hwg s VAL 170 CO 0.58 0.04 1.25 -2.65 -3.33 0.00 0.00 175.10 170.99 3hwg n PRO 171 N 4.74 1.86 -4.36 1.54 -0.02 -1.26 -0.84 135.00 136.66 3hwg n PRO 171 Ca 0.10 0.66 -0.18 0.00 -2.02 0.00 0.00 63.50 62.06 3hwg n PRO 171 Cb 0.46 -2.20 -0.10 0.00 -0.02 0.00 0.00 33.50 31.64 3hwg n PRO 171 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3hwg s ILE 172 N -0.73 0.72 -0.11 4.25 -4.36 -1.26 -4.86 121.20 114.86 3hwg s ILE 172 Ca 0.61 -2.00 0.12 0.00 -0.26 0.00 0.00 60.65 59.12 3hwg s ILE 172 Cb -0.64 -2.67 -0.17 0.00 1.25 0.00 0.00 42.46 40.22 3hwg s ILE 172 CO 0.57 0.00 0.10 0.47 0.24 0.00 0.00 174.94 176.32 3hwg n ASP 173 N -0.56 1.73 -4.76 4.36 10.43 -1.26 -4.86 116.55 121.63 3hwg n ASP 173 Ca -0.01 0.00 -0.41 0.00 2.57 0.00 0.00 54.79 56.94 3hwg n ASP 173 Cb 0.66 0.99 -0.02 0.00 1.84 0.00 0.00 41.12 44.59 3hwg n ASP 173 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3hwg s GLN 174 N -2.45 4.34 0.00 -1.24 1.11 -1.26 -3.80 119.66 116.36 3hwg s GLN 174 Ca -0.06 2.22 0.00 0.00 0.01 0.00 0.00 55.36 57.53 3hwg s GLN 174 Cb 0.05 -3.09 0.00 0.00 -1.01 0.00 0.00 33.01 28.96 3hwg s GLN 174 CO 0.55 -0.25 0.00 0.00 0.01 0.00 0.00 175.29 175.60 3hwg n ILE 176 N 0.00 0.00 0.67 0.00 -5.35 -1.26 -3.72 119.36 109.71 3hwg n ILE 176 Ca 0.00 -0.05 0.12 0.00 -0.27 0.00 0.00 62.75 62.55 3hwg n ILE 176 Cb 0.00 -0.14 0.12 0.00 -1.74 0.00 0.00 39.64 37.88 3hwg n ILE 176 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3hwg n ASP 177 N -1.02 0.63 0.00 7.28 8.00 -1.25 -4.93 116.55 125.26 3hwg n ASP 177 Ca 0.14 -0.13 0.14 0.00 0.71 0.00 0.00 54.79 55.65 3hwg n ASP 177 Cb 0.28 0.47 0.82 0.00 -0.02 0.00 0.00 41.12 42.66 3hwg n ASP 177 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42